Compound Identification
SMILES
CC1=NC(COC2CCCCO2)=CC(=C1)C1=CC(=CC=C1)C(=O)CC(=O)NC1=C(NC(=O)OC(C)(C)C)C=C(C)C(Cl)=C1
InChIKey
InChIKey=ICIISWNNUBLESU-UHFFFAOYSA-N
Formula
C33H38ClN3O6
Mass
608.13
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylpyridines Phenylcarbamic acid esters Anilides Diaminotoluenes Aryl alkyl ketones N-arylamides Benzoyl derivatives Methylpyridines Chlorobenzenes Oxanes 1,3-dicarbonyl compounds Aryl chlorides Fatty amides Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Oxacyclic compounds Acetals Azacyclic compounds Organochlorides Organopnictogen compounds Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 4-phenylpyridine - Phenylcarbamic acid ester - Diaminotoluene - Anilide - Benzoyl - N-arylamide - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Toluene - Methylpyridine - Fatty amide - Monocyclic benzene moiety - Aryl halide - Oxane - Pyridine - 1,3-dicarbonyl compound - Benzenoid - Aryl chloride - Fatty acyl - Carbamic acid ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Organic oxide - Aldehyde - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available